==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-MAR-11 3R0T . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BATTISTUTTA,E.PAPINUTTO,LOLLI G.,F.PIERRE,M.HADDACH,D.M.RY . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 0 0 0 2 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A G 0 0 105 0, 0.0 260,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.1 -0.7 -61.3 29.7 2 4 A P - 0 0 77 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.246 360.0-109.8 -67.8 153.8 -0.8 -58.5 27.1 3 5 A V - 0 0 49 256,-2.6 2,-0.0 1,-0.1 256,-0.0 -0.622 38.5-114.4 -79.3 139.1 -2.3 -59.2 23.7 4 6 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.301 29.4-158.8 -73.6 163.2 0.3 -59.2 20.9 5 7 A S - 0 0 3 201,-0.1 178,-0.5 202,-0.1 2,-0.3 -0.980 6.3-164.0-140.8 150.1 0.4 -56.5 18.1 6 8 A R - 0 0 111 -2,-0.3 202,-0.1 176,-0.1 2,-0.1 -0.966 33.8 -99.6-130.6 150.7 1.9 -56.3 14.6 7 9 A A - 0 0 3 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.407 25.9-140.4 -61.4 142.3 2.6 -53.4 12.3 8 10 A R S S+ 0 0 135 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.557 84.5 33.7 -85.9 -7.0 -0.2 -53.2 9.7 9 11 A V S S+ 0 0 52 1,-0.1 200,-0.2 2,-0.0 -2,-0.0 -0.957 119.9 14.5-141.0 159.5 2.3 -52.3 7.0 10 12 A Y S > S+ 0 0 65 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 0.814 76.8 153.3 48.0 35.6 6.0 -53.2 6.2 11 13 A T T 3 + 0 0 33 1,-0.2 3,-0.2 -4,-0.1 -4,-0.1 0.890 69.8 26.4 -65.0 -41.2 5.5 -56.0 8.7 12 14 A D T 3> S+ 0 0 78 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.092 79.6 119.9-114.1 21.6 8.1 -58.4 7.2 13 15 A V T <4 S+ 0 0 33 -3,-0.8 3,-0.3 1,-0.2 4,-0.2 0.893 86.9 37.2 -54.9 -44.0 10.5 -56.0 5.5 14 16 A N T >4 S+ 0 0 0 166,-0.5 3,-0.9 -4,-0.3 -1,-0.2 0.788 105.4 69.1 -78.9 -28.1 13.4 -57.2 7.7 15 17 A T T 34 S+ 0 0 72 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.830 110.8 34.5 -55.3 -32.1 12.2 -60.8 7.7 16 18 A H T 3< S+ 0 0 155 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.308 97.5 97.2-113.6 5.8 13.1 -60.9 4.0 17 19 A R S < S- 0 0 94 -3,-0.9 5,-0.1 -4,-0.2 -3,-0.0 -0.618 90.5 -87.7 -83.5 154.2 16.2 -58.7 3.9 18 20 A P >> - 0 0 74 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.318 40.2-113.4 -56.7 148.5 19.6 -60.3 4.0 19 21 A R H >> S+ 0 0 167 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.844 115.5 64.6 -53.7 -38.9 20.8 -60.8 7.6 20 22 A E H 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.768 93.4 65.4 -56.2 -26.9 23.6 -58.3 7.1 21 23 A Y H <4 S+ 0 0 15 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.932 120.2 13.8 -63.3 -48.0 20.9 -55.6 6.6 22 24 A W H << S+ 0 0 58 -4,-0.7 2,-2.2 -3,-0.6 3,-0.2 0.601 101.3 91.6-107.9 -16.1 19.4 -55.7 10.2 23 25 A D >< + 0 0 25 -4,-2.6 3,-1.5 1,-0.2 4,-0.2 -0.473 48.3 164.6 -81.1 70.5 22.0 -57.7 12.2 24 26 A Y G > + 0 0 23 -2,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.721 60.2 74.2 -64.6 -23.7 23.8 -54.5 13.2 25 27 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.778 100.0 45.5 -61.8 -24.7 25.8 -56.2 15.9 26 28 A S G < S+ 0 0 70 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.371 84.5 128.5-100.5 2.5 28.0 -57.8 13.3 27 29 A H < - 0 0 26 -3,-1.6 2,-0.7 -4,-0.2 54,-0.0 -0.362 51.6-145.2 -60.0 130.9 28.4 -54.6 11.2 28 30 A V - 0 0 123 -2,-0.1 2,-0.1 49,-0.0 -1,-0.1 -0.892 18.4-132.4-101.5 113.8 32.1 -53.8 10.4 29 31 A V - 0 0 21 -2,-0.7 2,-0.7 1,-0.1 48,-0.0 -0.392 7.0-143.0 -68.5 134.7 32.6 -50.1 10.5 30 32 A E - 0 0 162 -2,-0.1 68,-0.3 69,-0.0 2,-0.3 -0.884 23.6-146.5 -98.4 109.6 34.5 -48.6 7.5 31 33 A W - 0 0 100 -2,-0.7 68,-0.2 66,-0.1 2,-0.1 -0.548 10.0-158.2 -85.3 137.2 36.7 -45.8 9.0 32 34 A G - 0 0 22 66,-3.3 2,-0.7 -2,-0.3 68,-0.3 -0.189 40.8 -72.1 -92.0-167.3 37.6 -42.6 7.2 33 35 A N > - 0 0 95 1,-0.2 3,-2.3 66,-0.1 4,-0.3 -0.809 31.6-156.9 -96.8 114.0 40.5 -40.2 7.8 34 36 A Q G > S+ 0 0 74 -2,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.800 91.6 65.4 -58.3 -29.9 40.1 -38.2 11.0 35 37 A D G 3 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 22,-0.1 0.586 83.1 76.9 -70.6 -8.5 42.4 -35.6 9.7 36 38 A D G < S+ 0 0 31 -3,-2.3 21,-2.4 1,-0.1 2,-0.5 0.693 90.5 63.2 -72.1 -17.8 39.9 -34.7 6.9 37 39 A Y E < -A 56 0A 23 -3,-1.3 2,-0.6 -4,-0.3 19,-0.2 -0.933 61.2-166.7-121.9 124.9 37.8 -32.7 9.4 38 40 A Q E -A 55 0A 112 17,-2.4 17,-2.1 -2,-0.5 2,-0.2 -0.943 25.5-127.5-107.9 120.9 38.7 -29.6 11.4 39 41 A L E +A 54 0A 84 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.432 27.8 177.0 -67.5 134.0 36.3 -28.7 14.2 40 42 A V E - 0 0 82 13,-2.9 2,-0.3 1,-0.3 14,-0.2 0.788 59.5 -16.7-107.2 -46.5 35.1 -25.1 14.1 41 43 A R E -A 53 0A 142 12,-1.4 12,-3.0 0, 0.0 2,-0.4 -0.966 62.2-105.6-162.6 150.4 32.7 -24.7 17.0 42 44 A K E -A 52 0A 119 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.630 27.1-176.2 -76.3 126.4 30.6 -26.6 19.4 43 45 A L E - 0 0 84 8,-3.1 2,-0.3 -2,-0.4 9,-0.2 0.799 58.0 -53.0 -91.5 -32.5 27.0 -26.5 18.5 44 46 A G E -A 51 0A 31 7,-1.6 7,-2.7 2,-0.0 2,-0.4 -0.988 43.8-108.6 173.8-179.4 25.7 -28.4 21.5 45 47 A R E -A 50 0A 170 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.999 23.0-173.2-139.6 133.0 25.7 -31.4 23.8 46 48 A G - 0 0 36 3,-3.6 3,-0.2 -2,-0.4 23,-0.0 -0.633 45.9 -95.6-114.8 178.0 23.3 -34.2 24.3 47 49 A K S S+ 0 0 155 -2,-0.2 24,-0.1 1,-0.2 3,-0.1 0.805 126.3 32.5 -61.8 -25.5 23.1 -37.1 26.7 48 50 A Y S S- 0 0 72 1,-0.1 21,-3.2 22,-0.1 2,-0.3 0.538 125.5 -2.0-111.3 -10.9 24.8 -39.3 24.1 49 51 A S E - B 0 68A 10 19,-0.3 -3,-3.6 -3,-0.2 2,-0.4 -0.978 55.1-115.6-166.1 170.0 27.1 -37.0 22.2 50 52 A E E -AB 45 67A 38 17,-1.9 17,-2.4 -2,-0.3 2,-0.5 -0.983 29.7-148.1-120.0 140.8 28.6 -33.6 21.4 51 53 A V E -AB 44 66A 40 -7,-2.7 -8,-3.1 -2,-0.4 -7,-1.6 -0.930 15.2-174.5-117.4 130.3 27.9 -32.0 18.1 52 54 A F E -AB 42 65A 25 13,-2.8 13,-2.8 -2,-0.5 2,-0.3 -0.896 26.2-128.0-121.5 145.5 30.4 -29.6 16.3 53 55 A E E +AB 41 64A 19 -12,-3.0 -13,-2.9 -2,-0.3 -12,-1.4 -0.734 45.4 168.2 -79.1 144.5 30.3 -27.6 13.2 54 56 A A E -AB 39 63A 0 9,-2.8 9,-2.9 -2,-0.3 2,-0.4 -0.939 34.2-119.4-151.0 172.1 33.4 -28.4 11.1 55 57 A I E -AB 38 62A 46 -17,-2.1 -17,-2.4 -2,-0.3 2,-0.9 -0.970 16.5-139.0-119.3 132.6 35.0 -28.1 7.7 56 58 A N E >>> -AB 37 61A 15 5,-3.1 4,-1.8 -2,-0.4 3,-1.6 -0.833 17.3-160.2 -84.6 106.5 35.9 -31.0 5.5 57 59 A I T 345S+ 0 0 72 -21,-2.4 -1,-0.1 -2,-0.9 -20,-0.1 0.488 82.5 69.5 -75.0 -0.8 39.3 -29.8 4.3 58 60 A T T 345S+ 0 0 91 -22,-0.5 -1,-0.3 3,-0.1 -21,-0.1 0.617 125.0 8.9 -86.9 -14.2 39.3 -32.1 1.3 59 61 A N T <45S- 0 0 82 -3,-1.6 -2,-0.2 2,-0.1 3,-0.1 0.319 96.7-121.7-137.9 1.4 36.5 -30.0 -0.3 60 62 A N T <5 + 0 0 122 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.745 63.8 148.0 55.0 26.5 36.4 -27.0 2.0 61 63 A E E < -B 56 0A 113 -5,-1.0 -5,-3.1 1,-0.1 -1,-0.2 -0.692 52.3-114.1 -90.6 142.3 32.7 -27.9 2.6 62 64 A K E +B 55 0A 114 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.485 44.7 165.8 -68.6 139.8 31.0 -27.3 5.9 63 65 A V E -BC 54 112A 9 -9,-2.9 -9,-2.8 49,-0.2 2,-0.4 -0.873 31.8-117.7-141.9 178.8 29.9 -30.4 7.8 64 66 A V E -BC 53 111A 23 47,-2.3 47,-3.0 -2,-0.3 2,-0.5 -0.980 19.0-154.6-125.2 138.6 28.7 -31.5 11.2 65 67 A V E -BC 52 110A 6 -13,-2.8 -13,-2.8 -2,-0.4 2,-0.8 -0.954 2.9-163.8-119.5 122.4 30.6 -33.9 13.6 66 68 A K E -BC 51 109A 14 43,-3.4 43,-2.5 -2,-0.5 2,-0.8 -0.868 7.4-162.0-105.5 101.0 28.8 -35.9 16.2 67 69 A I E -BC 50 108A 17 -17,-2.4 -17,-1.9 -2,-0.8 2,-0.2 -0.755 21.4-133.0 -85.3 111.6 31.3 -37.3 18.7 68 70 A L E -B 49 0A 9 39,-2.2 -19,-0.3 -2,-0.8 -20,-0.0 -0.457 11.0-128.7 -72.3 130.0 29.6 -40.1 20.5 69 71 A K - 0 0 58 -21,-3.2 -1,-0.1 -2,-0.2 -22,-0.0 -0.440 31.2-107.6 -67.3 151.5 29.9 -40.2 24.3 70 72 A P S S+ 0 0 99 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.392 80.1 134.3 -63.1 7.3 31.0 -43.6 25.6 71 73 A V - 0 0 48 -23,-0.2 -2,-0.1 -24,-0.1 4,-0.0 -0.490 68.6 -15.6 -62.0 108.1 27.4 -43.8 26.7 72 74 A K - 0 0 102 -2,-0.6 0, 0.0 3,-0.1 0, 0.0 0.101 65.9-126.9 77.3 171.9 26.3 -47.3 25.6 73 75 A K S > S+ 0 0 132 3,-0.0 3,-2.6 2,-0.0 4,-0.4 0.693 86.8 25.5-122.5 -94.8 27.8 -49.8 23.3 74 76 A K T 3> S+ 0 0 109 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.535 104.3 83.4 -64.8 -6.2 26.2 -51.7 20.4 75 77 A K H 3> S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.820 84.7 60.0 -59.7 -30.2 23.9 -48.7 20.2 76 78 A I H <> S+ 0 0 32 -3,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.945 105.6 43.5 -66.1 -48.9 26.8 -47.2 18.2 77 79 A K H > S+ 0 0 68 -4,-0.4 4,-3.0 2,-0.2 5,-0.3 0.858 110.7 57.7 -62.6 -36.8 26.6 -49.9 15.5 78 80 A R H X S+ 0 0 30 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.955 109.4 43.1 -59.3 -49.8 22.8 -49.7 15.4 79 81 A E H X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.934 115.8 49.4 -64.0 -44.9 22.9 -46.0 14.6 80 82 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 112.2 46.5 -58.4 -47.9 25.6 -46.4 12.1 81 83 A K H X S+ 0 0 31 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.912 112.8 50.1 -62.8 -43.5 24.0 -49.3 10.3 82 84 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.937 110.3 49.8 -60.7 -47.3 20.6 -47.5 10.2 83 85 A L H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 12,-0.3 0.886 113.7 46.5 -59.0 -40.4 22.3 -44.4 8.7 84 86 A E H >< S+ 0 0 45 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.920 111.5 50.5 -69.8 -43.2 24.0 -46.5 6.1 85 87 A N H 3< S+ 0 0 21 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.0 39.3 -56.5 -39.2 20.8 -48.4 5.2 86 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.3 -5,-0.2 -1,-0.2 0.493 83.9 131.3 -94.1 -3.9 18.8 -45.2 4.8 87 89 A R T << S+ 0 0 107 -4,-0.7 7,-0.1 -3,-0.6 6,-0.1 -0.229 74.7 17.5 -61.8 132.8 21.5 -43.1 3.1 88 90 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.306 93.0 134.4 90.5 -8.8 20.3 -41.3 -0.0 89 91 A G S X S- 0 0 8 -3,-2.3 3,-1.8 1,-0.2 -1,-0.3 -0.307 72.2 -72.3 -70.7 157.9 16.6 -41.8 1.0 90 92 A P T 3 S- 0 0 60 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.302 111.6 -13.3 -57.5 122.4 14.2 -38.8 0.7 91 93 A N T 3 S+ 0 0 19 1,-0.2 80,-2.9 -3,-0.1 2,-0.4 0.656 96.0 138.1 63.6 17.8 14.9 -36.2 3.4 92 94 A I B < -e 171 0B 3 -3,-1.8 -4,-0.3 78,-0.2 -1,-0.2 -0.817 62.8-107.4 -91.7 133.8 17.2 -38.5 5.5 93 95 A I - 0 0 4 78,-1.9 2,-0.6 -2,-0.4 -4,-0.1 -0.317 36.7-120.9 -58.5 141.3 20.3 -36.8 6.8 94 96 A T - 0 0 50 -7,-0.1 18,-2.1 -6,-0.1 2,-0.8 -0.787 11.2-146.9 -93.1 119.7 23.4 -38.0 5.0 95 97 A L E -D 111 0A 1 -2,-0.6 16,-0.3 -12,-0.3 3,-0.1 -0.767 18.8-178.0 -78.8 113.4 26.1 -39.7 6.9 96 98 A A E - 0 0 57 14,-2.8 2,-0.3 -2,-0.8 15,-0.2 0.780 57.0 -22.1 -86.7 -29.0 29.2 -38.6 5.0 97 99 A D E -D 110 0A 32 13,-1.5 13,-2.7 -65,-0.1 2,-0.4 -0.982 47.9-135.0-169.8 166.8 31.9 -40.4 7.0 98 100 A I E +D 109 0A 4 -68,-0.3 -66,-3.3 -2,-0.3 2,-0.3 -0.984 28.4 173.4-137.9 129.1 32.8 -42.1 10.3 99 101 A V E -D 108 0A 5 9,-2.2 9,-3.3 -2,-0.4 2,-0.7 -0.906 35.8-109.5-132.3 160.7 36.2 -41.4 11.9 100 102 A K E -D 107 0A 129 -68,-0.3 -66,-0.1 -2,-0.3 -33,-0.0 -0.824 30.5-138.5 -90.0 117.5 37.8 -42.3 15.2 101 103 A D E >> -D 106 0A 18 5,-2.5 4,-1.5 -2,-0.7 5,-0.5 -0.634 7.0-153.9 -76.2 127.9 38.1 -39.3 17.4 102 104 A P T 45S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.696 90.2 46.3 -79.4 -17.4 41.6 -39.4 19.1 103 105 A V T 45S+ 0 0 129 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.893 120.2 34.3 -87.1 -48.1 40.5 -37.4 22.1 104 106 A S T 45S- 0 0 38 2,-0.2 -1,-0.1 -35,-0.0 -4,-0.0 0.746 94.4-138.9 -79.2 -22.6 37.2 -39.0 23.0 105 107 A R T <5S+ 0 0 217 -4,-1.5 -5,-0.0 1,-0.3 -1,-0.0 0.843 70.1 101.7 63.4 34.5 38.4 -42.4 22.0 106 108 A T E > - 0 0 73 -2,-0.5 4,-2.8 1,-0.1 3,-1.9 -0.099 21.8-122.0 -50.0 144.4 15.9 -23.4 14.8 119 121 A F H 3> S+ 0 0 33 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.820 110.2 67.8 -63.0 -28.1 12.3 -24.5 15.4 120 122 A K H 34 S+ 0 0 141 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.737 115.3 27.0 -62.9 -24.0 12.1 -22.0 18.3 121 123 A Q H <4 S+ 0 0 127 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.723 121.8 53.7-101.7 -33.9 12.3 -19.2 15.8 122 124 A L H >X S+ 0 0 3 -4,-2.8 3,-2.1 1,-0.2 4,-0.9 0.892 95.3 62.7 -72.2 -43.5 10.9 -21.0 12.7 123 125 A Y T 3< S+ 0 0 23 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.827 99.7 54.4 -59.5 -33.3 7.5 -22.3 14.0 124 126 A Q T 34 S+ 0 0 137 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.512 110.9 47.0 -81.7 -0.2 6.1 -18.8 14.7 125 127 A T T <4 S+ 0 0 79 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.523 84.1 114.6-109.5 -10.3 6.8 -17.7 11.2 126 128 A L < - 0 0 3 -4,-0.9 2,-0.1 -3,-0.5 -3,-0.0 -0.363 54.5-146.6 -67.7 134.3 5.4 -20.7 9.3 127 129 A T > - 0 0 68 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.403 32.2 -98.1 -88.3 172.5 2.3 -20.1 7.2 128 130 A D H > S+ 0 0 43 161,-0.2 4,-1.9 1,-0.2 5,-0.2 0.926 127.7 49.3 -52.9 -46.5 -0.5 -22.5 6.6 129 131 A Y H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.945 108.1 52.4 -62.2 -47.8 1.2 -23.4 3.3 130 132 A D H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.899 107.4 52.9 -54.0 -42.9 4.6 -24.0 4.9 131 133 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.947 112.1 43.4 -62.9 -47.0 3.1 -26.3 7.5 132 134 A R H X S+ 0 0 22 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.924 115.0 51.3 -62.8 -44.4 1.5 -28.6 4.9 133 135 A F H X S+ 0 0 32 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.946 114.6 40.4 -57.2 -51.5 4.6 -28.4 2.7 134 136 A Y H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.856 111.7 56.7 -73.4 -33.8 7.0 -29.4 5.5 135 137 A M H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.934 107.6 49.3 -58.4 -44.6 4.6 -32.0 6.9 136 138 A Y H X S+ 0 0 37 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.904 109.5 52.4 -61.9 -39.7 4.6 -33.7 3.5 137 139 A E H X S+ 0 0 23 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.890 108.9 49.0 -65.2 -39.2 8.3 -33.6 3.5 138 140 A I H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.911 107.6 56.1 -63.4 -41.5 8.6 -35.3 6.9 139 141 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.865 102.4 55.5 -60.5 -35.4 6.1 -37.9 5.7 140 142 A K H X S+ 0 0 70 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.953 110.7 45.3 -60.3 -48.3 8.5 -38.7 2.8 141 143 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.904 115.9 46.7 -60.2 -43.8 11.3 -39.3 5.3 142 144 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.934 111.3 48.7 -71.0 -44.6 9.0 -41.4 7.5 143 145 A D H X S+ 0 0 24 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.924 112.0 53.2 -59.0 -40.3 7.5 -43.6 4.8 144 146 A Y H X S+ 0 0 55 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.979 112.2 40.6 -58.1 -56.8 11.0 -44.2 3.5 145 147 A C H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.5 0.926 116.9 49.7 -63.8 -40.3 12.5 -45.4 6.8 146 148 A H H ><5S+ 0 0 5 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.929 109.2 51.8 -59.1 -43.9 9.3 -47.4 7.7 147 149 A S H 3<5S+ 0 0 34 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.752 108.5 54.2 -65.4 -19.9 9.4 -49.0 4.2 148 150 A M T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.164 125.2-102.9-100.9 17.4 13.0 -49.8 5.0 149 151 A G T < 5S+ 0 0 0 -3,-2.1 31,-2.8 1,-0.2 2,-0.4 0.685 82.0 119.2 76.8 22.3 12.1 -51.6 8.2 150 152 A I E < -G 179 0C 0 -5,-2.6 2,-0.4 29,-0.2 29,-0.2 -0.958 47.0-157.4-129.2 134.7 13.1 -48.9 10.6 151 153 A M E -G 178 0C 0 27,-2.6 27,-2.1 -2,-0.4 58,-0.1 -0.902 9.7-152.3-105.8 140.2 11.3 -46.8 13.2 152 154 A H - 0 0 0 -2,-0.4 24,-0.2 25,-0.2 -1,-0.1 0.946 15.6-171.4 -76.2 -49.0 12.8 -43.4 14.2 153 155 A R + 0 0 7 56,-0.1 38,-0.6 24,-0.1 -1,-0.1 0.517 69.6 65.8 69.1 10.8 11.4 -43.3 17.7 154 156 A D + 0 0 11 37,-0.1 2,-0.4 36,-0.1 5,-0.2 -0.070 59.1 157.2-151.3 41.1 12.5 -39.7 18.4 155 157 A V + 0 0 0 40,-0.1 37,-0.2 3,-0.1 3,-0.1 -0.582 22.0 130.5 -70.1 125.7 10.5 -37.6 16.1 156 158 A K S > S- 0 0 53 -2,-0.4 3,-1.3 1,-0.1 4,-0.4 -0.944 71.5 -88.4-169.4 160.8 10.3 -34.0 17.5 157 159 A P G > S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 -38,-0.1 0.863 122.0 56.9 -49.2 -44.8 10.9 -30.5 16.3 158 160 A H G 3 S+ 0 0 106 1,-0.3 -3,-0.1 -40,-0.1 -39,-0.0 0.847 105.6 51.7 -58.1 -32.9 14.6 -30.5 17.2 159 161 A N G < S+ 0 0 0 -3,-1.3 13,-2.9 -5,-0.2 2,-0.7 0.412 94.2 76.4 -89.1 2.9 15.2 -33.6 15.0 160 162 A V E < S-F 171 0B 8 -3,-1.7 2,-0.4 -4,-0.4 11,-0.2 -0.850 71.7-161.5-113.8 95.9 13.6 -32.1 11.9 161 163 A M E -F 170 0B 36 9,-2.6 9,-2.7 -2,-0.7 2,-0.5 -0.617 6.5-166.8 -83.6 130.3 16.1 -29.7 10.4 162 164 A I E -F 169 0B 5 -2,-0.4 -45,-1.8 -45,-0.3 2,-1.0 -0.965 21.0-159.8-126.1 120.4 14.7 -27.2 8.0 163 165 A D E >> -F 168 0B 7 5,-3.1 5,-2.1 -2,-0.5 4,-0.6 -0.852 15.3-171.8 -89.2 99.5 16.5 -24.9 5.6 164 166 A H T 45S+ 0 0 51 -2,-1.0 -1,-0.2 3,-0.2 -48,-0.1 0.687 76.9 62.1 -71.3 -19.4 13.7 -22.4 5.1 165 167 A E T 45S+ 0 0 142 -50,-0.3 -1,-0.2 1,-0.2 -49,-0.1 0.958 118.1 24.6 -69.5 -51.3 15.6 -20.6 2.3 166 168 A H T 45S- 0 0 120 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.281 106.6-120.1 -97.9 9.6 15.8 -23.5 -0.1 167 169 A R T <5 + 0 0 78 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.892 62.2 151.4 54.8 45.4 12.7 -25.2 1.4 168 170 A K E < - F 0 163B 66 -5,-2.1 -5,-3.1 2,-0.0 2,-0.4 -0.881 27.0-165.8-115.6 139.4 14.8 -28.3 2.3 169 171 A L E - F 0 162B 0 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.959 6.7-174.2-130.9 140.4 14.2 -30.7 5.2 170 172 A R E - F 0 161B 49 -9,-2.7 -9,-2.6 -2,-0.4 2,-0.6 -0.993 19.2-142.2-135.3 129.7 16.3 -33.4 6.9 171 173 A L E -eF 92 160B 2 -80,-2.9 -78,-1.9 -2,-0.4 -11,-0.2 -0.800 36.9-179.1 -86.8 121.7 15.3 -35.9 9.6 172 174 A I + 0 0 27 -13,-2.9 -13,-0.1 -2,-0.6 -80,-0.0 -0.495 37.8 51.8-117.2-178.8 18.2 -36.3 11.9 173 175 A D > + 0 0 52 -2,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.970 42.6 177.4 53.1 76.1 19.5 -38.1 15.1 174 176 A W G > + 0 0 0 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 0.096 46.2 115.8 -88.9 20.7 18.8 -41.8 14.4 175 177 A G G 3 S+ 0 0 2 1,-0.3 -1,-0.2 -21,-0.1 -96,-0.1 0.667 81.4 38.1 -68.9 -19.7 20.4 -42.6 17.7 176 178 A L G < S+ 0 0 23 -3,-0.5 -1,-0.3 -24,-0.2 -2,-0.1 0.398 91.4 121.2-104.6 -0.5 17.2 -44.0 19.1 177 179 A A < - 0 0 0 -3,-1.0 2,-0.3 -23,-0.1 -25,-0.2 -0.277 40.5-172.7 -67.3 148.7 16.1 -45.7 15.8 178 180 A E E -G 151 0C 20 -27,-2.1 -27,-2.6 -96,-0.0 2,-0.3 -0.948 27.7-105.0-138.0 160.8 15.5 -49.4 15.7 179 181 A F E -G 150 0C 0 -2,-0.3 2,-0.6 -29,-0.2 -29,-0.2 -0.686 36.4-126.5 -82.2 135.6 14.7 -52.2 13.2 180 182 A Y + 0 0 2 -31,-2.8 -166,-0.5 -2,-0.3 28,-0.1 -0.759 31.1 175.5 -86.8 122.8 11.1 -53.5 13.3 181 183 A H > - 0 0 33 -2,-0.6 3,-2.4 -167,-0.1 -169,-0.1 -0.995 39.0-107.6-125.4 124.6 10.8 -57.2 13.7 182 184 A P T 3 S+ 0 0 37 0, 0.0 -176,-0.1 0, 0.0 3,-0.1 -0.264 103.5 11.6 -55.3 129.6 7.3 -58.7 14.1 183 185 A G T 3 S+ 0 0 27 -178,-0.5 2,-0.2 1,-0.3 -177,-0.1 0.325 92.0 138.9 89.8 -6.4 6.6 -59.7 17.7 184 186 A Q < - 0 0 71 -3,-2.4 2,-0.5 23,-0.1 -1,-0.3 -0.502 48.4-136.8 -76.6 137.6 9.7 -58.0 19.1 185 187 A E - 0 0 111 -2,-0.2 2,-0.3 21,-0.1 21,-0.2 -0.838 24.8-160.6 -94.4 130.6 9.3 -56.2 22.4 186 188 A Y - 0 0 7 19,-3.1 2,-0.2 -2,-0.5 21,-0.1 -0.717 26.7 -92.3-112.1 159.3 11.0 -52.8 22.5 187 189 A N - 0 0 91 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.463 26.7-152.3 -63.4 134.1 12.2 -50.5 25.3 188 190 A V S S+ 0 0 22 1,-0.2 2,-1.6 -2,-0.2 -1,-0.1 0.557 76.2 92.4 -88.1 -5.6 9.5 -47.9 26.1 189 191 A R + 0 0 203 7,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.438 64.3 107.1 -88.5 63.7 12.1 -45.4 27.2 190 192 A V + 0 0 4 -2,-1.6 -36,-0.1 -3,-0.1 -37,-0.1 -0.837 51.7 36.5-130.5 168.5 12.4 -43.6 23.8 191 193 A A S S- 0 0 12 -38,-0.6 2,-0.2 -2,-0.3 -37,-0.1 0.345 91.2 -70.6 68.9 155.3 11.2 -40.3 22.4 192 194 A S >> - 0 0 31 -37,-0.2 3,-2.3 1,-0.1 4,-0.5 -0.575 52.8-105.9 -75.7 146.8 11.0 -37.0 24.2 193 195 A R G >4 S+ 0 0 83 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.820 117.5 51.0 -38.6 -52.2 8.3 -36.8 26.9 194 196 A Y G 34 S+ 0 0 56 1,-0.3 37,-0.3 39,-0.1 -1,-0.3 0.686 115.7 42.9 -68.9 -13.6 5.9 -34.5 24.9 195 197 A F G <4 S+ 0 0 8 -3,-2.3 -1,-0.3 2,-0.1 2,-0.2 0.298 80.8 125.0-116.2 5.6 6.1 -36.8 21.9 196 198 A K << - 0 0 20 -3,-1.4 -5,-0.1 -4,-0.5 -42,-0.0 -0.515 60.5-124.0 -71.2 133.6 5.8 -40.2 23.6 197 199 A G >> - 0 0 0 -2,-0.2 4,-1.8 1,-0.1 3,-0.8 -0.324 23.0-108.8 -71.8 157.0 3.0 -42.3 22.2 198 200 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 6,-0.2 0.843 118.8 66.0 -53.3 -30.2 0.3 -43.7 24.5 199 201 A E H 34>S+ 0 0 0 1,-0.2 5,-3.1 106,-0.2 3,-0.1 0.905 104.8 42.2 -60.9 -40.4 1.9 -47.1 23.9 200 202 A L H X45S+ 0 0 10 -3,-0.8 3,-1.1 3,-0.2 -1,-0.2 0.882 112.4 54.4 -68.7 -38.8 5.1 -46.0 25.7 201 203 A L H 3<5S+ 0 0 19 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.711 111.5 44.0 -74.4 -20.0 3.1 -44.3 28.5 202 204 A V T 3<5S- 0 0 9 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.297 116.6-113.8-104.3 7.3 1.1 -47.4 29.3 203 205 A D T < 5 + 0 0 109 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.820 58.8 157.2 69.1 34.4 4.3 -49.5 29.1 204 206 A Y < - 0 0 9 -5,-3.1 -1,-0.2 -6,-0.2 3,-0.2 -0.841 19.2-173.7 -93.4 116.3 3.3 -51.6 26.0 205 207 A Q + 0 0 74 -2,-0.7 -19,-3.1 1,-0.2 2,-1.2 0.625 63.7 78.7 -90.3 -16.9 6.5 -52.9 24.4 206 208 A M + 0 0 27 -21,-0.2 -1,-0.2 -7,-0.1 -21,-0.1 -0.323 68.6 136.5 -92.1 54.6 5.3 -54.6 21.2 207 209 A Y - 0 0 0 -2,-1.2 2,-0.2 -3,-0.2 -200,-0.1 -0.199 30.0-172.5 -94.5-174.5 4.9 -51.3 19.2 208 210 A D > - 0 0 7 -202,-0.1 3,-2.2 -28,-0.1 4,-0.3 -0.728 49.9 -41.3-156.3-163.4 6.0 -50.3 15.7 209 211 A Y T >> S+ 0 0 5 1,-0.3 3,-1.5 -2,-0.2 4,-0.6 0.770 115.7 78.0 -48.1 -31.0 6.4 -47.6 13.1 210 212 A S H >> S+ 0 0 13 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.748 77.2 72.7 -60.3 -22.3 3.0 -46.2 14.2 211 213 A L H <> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.2 3,-0.4 0.924 93.7 54.4 -51.3 -45.9 4.8 -44.6 17.3 212 214 A D H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.787 102.7 57.6 -62.0 -28.2 6.4 -42.1 14.9 213 215 A M H S+ 0 0 3 -4,-2.0 5,-1.4 -5,-0.2 4,-0.6 0.855 115.3 43.7 -64.5 -33.5 1.8 -27.7 18.1 223 225 A M H <5S+ 0 0 13 -4,-2.0 3,-0.2 -3,-0.2 -2,-0.2 0.961 116.9 40.7 -78.6 -52.1 2.2 -26.0 14.7 224 226 A I H <5S+ 0 0 0 -4,-2.9 66,-0.3 1,-0.2 -2,-0.2 0.836 125.7 37.7 -68.6 -29.2 -1.5 -25.5 13.6 225 227 A F H <5S- 0 0 4 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.520 103.8-128.4 -96.1 -11.5 -2.6 -24.5 17.1 226 228 A R T <5 + 0 0 96 -4,-0.6 2,-0.3 -3,-0.2 -3,-0.2 0.958 68.2 123.6 60.9 51.1 0.6 -22.5 18.0 227 229 A K < - 0 0 94 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.874 53.6-141.2-141.8 105.8 1.2 -24.3 21.3 228 230 A E S S+ 0 0 74 -2,-0.3 2,-0.1 1,-0.2 -9,-0.1 -0.951 88.7 18.1-125.1 115.8 4.6 -25.9 21.6 229 231 A P S S- 0 0 8 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.598 80.2-161.4 -83.9 166.1 4.6 -28.5 22.9 230 232 A F S S+ 0 0 14 -12,-0.3 2,-1.0 1,-0.3 -2,-0.1 0.964 86.5 41.8 -75.2 -55.0 0.9 -29.4 22.6 231 233 A F S S- 0 0 4 -37,-0.3 2,-1.1 -4,-0.1 -1,-0.3 -0.814 78.8-173.6 -94.2 100.5 0.7 -32.0 25.3 232 234 A H + 0 0 76 -2,-1.0 2,-0.1 -3,-0.2 -1,-0.1 -0.610 8.4 177.3-103.1 73.1 2.9 -30.4 28.0 233 235 A G - 0 0 0 -2,-1.1 6,-0.1 1,-0.1 3,-0.1 -0.434 31.6-144.3 -78.7 152.3 3.2 -32.9 30.8 234 236 A H S S- 0 0 134 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.683 85.2 -8.5 -87.6 -20.9 5.3 -32.4 33.9 235 237 A D S > S- 0 0 71 -42,-0.1 4,-2.1 0, 0.0 -1,-0.1 -0.899 90.0 -80.4-157.5-176.8 6.4 -36.0 33.9 236 238 A N H > S+ 0 0 73 -2,-0.3 4,-1.0 2,-0.2 5,-0.0 0.742 127.2 48.7 -69.3 -22.6 5.5 -39.3 32.1 237 239 A Y H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.1 3,-0.5 0.940 112.7 45.4 -79.0 -50.2 2.4 -39.8 34.2 238 240 A D H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.827 105.2 65.6 -61.7 -29.9 1.1 -36.3 33.8 239 241 A Q H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.942 103.3 45.1 -57.7 -45.9 1.9 -36.7 30.1 240 242 A L H X S+ 0 0 0 -4,-1.0 4,-2.9 -3,-0.5 -1,-0.2 0.882 111.5 53.1 -67.6 -35.9 -0.8 -39.4 29.9 241 243 A V H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.926 106.9 52.3 -62.8 -43.1 -3.2 -37.3 31.9 242 244 A R H < S+ 0 0 79 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.907 112.4 45.7 -57.2 -44.5 -2.7 -34.4 29.5 243 245 A I H >X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-2.0 0.945 110.1 53.4 -64.3 -47.7 -3.5 -36.6 26.6 244 246 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.3 -2,-0.2 0.781 98.7 64.3 -61.3 -28.0 -6.5 -38.1 28.3 245 247 A K H 3< S+ 0 0 100 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.664 115.8 30.4 -66.5 -14.9 -7.9 -34.6 28.9 246 248 A V H <4 S+ 0 0 15 -3,-2.0 31,-3.3 -4,-0.3 -2,-0.2 0.792 129.4 33.7-109.7 -50.9 -8.2 -34.3 25.1 247 249 A L H < S- 0 0 1 -4,-2.7 4,-0.3 29,-0.2 29,-0.2 0.644 111.9-123.6 -83.8 -16.7 -8.8 -37.8 23.8 248 250 A G X - 0 0 2 -4,-1.3 4,-0.7 -5,-0.5 27,-0.2 0.159 9.0 -98.9 91.3 154.1 -10.8 -38.7 26.8 249 251 A T H > S+ 0 0 4 25,-2.2 4,-2.5 2,-0.2 5,-0.2 0.799 111.3 64.0 -80.8 -30.4 -10.5 -41.5 29.4 250 252 A E H > S+ 0 0 128 24,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.925 105.9 45.5 -63.3 -39.8 -13.1 -43.9 28.0 251 253 A D H > S+ 0 0 56 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.800 109.1 56.5 -72.5 -26.0 -11.1 -44.4 24.8 252 254 A L H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 5,-0.3 0.930 109.1 46.6 -65.8 -45.2 -7.9 -44.8 26.9 253 255 A Y H X S+ 0 0 92 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 109.6 53.4 -63.9 -39.3 -9.7 -47.6 28.7 254 256 A D H X S+ 0 0 91 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.892 110.4 50.1 -58.1 -40.8 -10.8 -49.1 25.4 255 257 A Y H X S+ 0 0 5 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.965 113.9 40.3 -62.7 -57.4 -7.2 -49.1 24.2 256 258 A I H <>S+ 0 0 5 -4,-2.5 5,-3.2 1,-0.2 4,-0.2 0.863 115.6 53.9 -65.6 -31.6 -5.6 -50.8 27.3 257 259 A D H ><5S+ 0 0 95 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.896 103.2 56.0 -67.6 -40.4 -8.6 -53.2 27.4 258 260 A K H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 116.0 36.6 -56.6 -40.2 -8.1 -54.2 23.7 259 261 A Y T 3<5S- 0 0 1 -4,-1.5 -256,-2.6 -5,-0.1 -1,-0.2 0.309 110.7-119.8 -97.6 8.5 -4.4 -55.2 24.5 260 262 A N T < 5 + 0 0 107 -3,-1.0 2,-0.3 -4,-0.2 -3,-0.2 0.900 61.2 154.9 51.3 44.9 -5.3 -56.6 27.9 261 263 A I < - 0 0 22 -5,-3.2 2,-0.5 -6,-0.1 -1,-0.2 -0.749 37.2-140.3 -97.8 146.7 -2.9 -54.0 29.4 262 264 A E - 0 0 177 -2,-0.3 2,-0.1 -60,-0.1 -5,-0.0 -0.939 17.4-125.2-109.7 130.6 -3.2 -52.7 33.0 263 265 A L - 0 0 18 -2,-0.5 -61,-0.1 1,-0.1 5,-0.1 -0.432 38.6 -93.2 -65.4 144.1 -2.6 -49.1 33.8 264 266 A D > - 0 0 57 1,-0.2 3,-2.1 -2,-0.1 4,-0.2 -0.384 36.2-127.7 -49.7 129.6 -0.1 -48.3 36.5 265 267 A P G > S+ 0 0 89 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.686 102.5 79.1 -63.7 -14.6 -2.2 -48.1 39.7 266 268 A R G > S+ 0 0 131 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.719 81.6 67.5 -65.7 -16.7 -0.6 -44.7 40.4 267 269 A F G X> S+ 0 0 5 -3,-2.1 4,-2.4 1,-0.2 3,-0.9 0.616 77.5 85.5 -73.8 -12.6 -3.1 -43.3 37.8 268 270 A N G <4 S+ 0 0 118 -3,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.826 97.4 35.0 -57.4 -34.8 -5.9 -44.1 40.2 269 271 A D G <4 S+ 0 0 158 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.412 127.3 35.1-101.3 -0.5 -5.5 -40.8 42.0 270 272 A I T <4 S+ 0 0 81 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.605 98.1 70.5-126.0 -18.8 -4.6 -38.6 39.1 271 273 A L < + 0 0 4 -4,-2.4 -3,-0.1 1,-0.1 -2,-0.1 0.870 65.8 175.4 -78.9 -39.9 -6.4 -39.7 35.9 272 274 A G - 0 0 52 -5,-0.3 2,-0.4 -4,-0.2 -1,-0.1 -0.101 42.7 -63.5 66.5-169.2 -10.0 -38.6 36.6 273 275 A R + 0 0 225 -24,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.989 56.5 175.8-117.7 131.1 -12.8 -38.9 34.1 274 276 A H - 0 0 45 -2,-0.4 -25,-2.2 -30,-0.1 -24,-0.7 -0.997 24.5-132.9-140.3 133.4 -12.7 -36.9 30.9 275 277 A S - 0 0 79 -2,-0.4 -27,-0.3 -27,-0.2 2,-0.3 -0.423 38.5 -98.7 -73.5 156.5 -14.8 -36.7 27.8 276 278 A R - 0 0 75 -29,-0.2 2,-0.3 -28,-0.1 -29,-0.2 -0.616 45.3-137.3 -72.5 138.1 -13.2 -36.7 24.4 277 279 A K - 0 0 38 -31,-3.3 2,-0.3 -2,-0.3 -31,-0.0 -0.672 7.3-118.6 -98.9 153.5 -12.9 -33.1 23.1 278 280 A R > - 0 0 206 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.708 24.8-126.8 -85.7 144.4 -13.6 -31.7 19.7 279 281 A W G > S+ 0 0 19 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.728 99.2 77.5 -67.2 -21.8 -10.5 -30.2 18.0 280 282 A E G > S+ 0 0 117 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.763 78.0 72.3 -60.2 -26.5 -12.3 -26.9 17.4 281 283 A R G < S+ 0 0 165 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.761 93.1 55.9 -62.3 -21.4 -11.9 -25.8 21.0 282 284 A F G < S+ 0 0 45 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.3 0.485 88.0 98.6 -89.2 -2.5 -8.2 -25.3 20.4 283 285 A V < + 0 0 47 -3,-1.8 2,-0.3 -4,-0.2 -58,-0.1 -0.700 47.4 158.2 -88.0 134.3 -8.8 -22.9 17.6 284 286 A H >> - 0 0 84 -2,-0.4 4,-1.8 -59,-0.0 3,-1.8 -0.884 56.6 -83.4-147.8 177.5 -8.7 -19.2 18.3 285 287 A S T 34 S+ 0 0 73 1,-0.3 4,-0.2 -2,-0.3 -2,-0.0 0.735 123.0 53.5 -62.5 -21.5 -8.2 -15.8 16.5 286 288 A E T 34 S+ 0 0 126 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.546 121.2 26.4 -91.8 -9.7 -4.4 -16.2 16.6 287 289 A N T X4 S+ 0 0 0 -3,-1.8 3,-2.5 2,-0.1 4,-0.4 0.449 88.7 99.6-125.4 -4.2 -4.1 -19.6 15.0 288 290 A Q G >< S+ 0 0 115 -4,-1.8 3,-1.4 1,-0.3 -3,-0.1 0.789 75.7 64.9 -60.0 -30.3 -7.3 -19.9 12.9 289 291 A H G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -4,-0.2 -161,-0.2 0.613 103.6 49.2 -66.7 -10.4 -5.3 -19.0 9.7 290 292 A L G < S+ 0 0 0 -3,-2.5 2,-0.4 -66,-0.3 -1,-0.3 0.430 101.3 81.4-103.7 -3.4 -3.4 -22.3 10.2 291 293 A V < + 0 0 26 -3,-1.4 3,-0.1 -4,-0.4 -163,-0.0 -0.841 46.8 158.4-113.4 140.8 -6.5 -24.4 10.7 292 294 A S > - 0 0 15 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.938 55.4-102.5-146.9 163.0 -8.9 -25.9 8.2 293 295 A P H > S+ 0 0 101 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.902 124.6 54.8 -56.4 -39.5 -11.3 -28.8 8.3 294 296 A E H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 27,-0.3 0.899 107.1 48.9 -59.1 -44.0 -8.7 -30.8 6.4 295 297 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.917 112.0 48.7 -62.7 -44.5 -6.0 -30.1 9.1 296 298 A L H X S+ 0 0 13 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.906 112.5 47.4 -65.3 -40.0 -8.3 -31.1 11.9 297 299 A D H X S+ 0 0 60 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.918 113.5 48.5 -66.8 -41.0 -9.4 -34.3 10.2 298 300 A F H >X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 3,-0.6 0.958 113.6 46.0 -63.2 -50.4 -5.7 -35.2 9.5 299 301 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.3 3,-1.2 0.922 109.7 55.4 -56.6 -46.5 -4.6 -34.5 13.0 300 302 A D H 3< S+ 0 0 40 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.798 107.2 50.8 -55.3 -32.4 -7.6 -36.4 14.4 301 303 A K H << S+ 0 0 75 -4,-1.3 10,-1.8 -3,-0.6 -1,-0.3 0.598 112.3 45.6 -87.5 -11.8 -6.4 -39.4 12.3 302 304 A L H << S+ 0 0 0 -3,-1.2 2,-1.8 -4,-0.8 -2,-0.2 0.846 102.4 65.7 -90.0 -45.7 -2.8 -39.3 13.6 303 305 A L < + 0 0 0 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.530 68.1 137.8 -84.7 75.4 -3.6 -38.8 17.3 304 306 A R - 0 0 68 -2,-1.8 6,-0.1 -3,-0.2 5,-0.1 -0.954 53.7-139.4-113.5 139.4 -5.3 -42.1 18.2 305 307 A Y S S+ 0 0 5 -2,-0.4 2,-0.6 1,-0.1 -106,-0.2 0.972 92.2 74.3 -55.8 -52.9 -4.6 -44.0 21.4 306 308 A D S >> S- 0 0 22 1,-0.2 3,-2.0 -3,-0.1 4,-0.6 -0.494 72.7-156.9 -69.9 109.5 -4.6 -47.3 19.4 307 309 A H G >4 S+ 0 0 2 -2,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.805 93.4 59.4 -58.8 -28.9 -1.4 -47.4 17.5 308 310 A Q G 34 S+ 0 0 45 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.684 102.0 54.7 -71.4 -18.7 -3.0 -49.8 15.0 309 311 A S G <4 S+ 0 0 67 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.559 85.0 105.2 -92.7 -10.1 -5.7 -47.2 14.2 310 312 A R S << S- 0 0 3 -3,-0.7 -8,-0.2 -4,-0.6 -9,-0.1 -0.367 81.6 -98.3 -71.1 149.8 -3.3 -44.4 13.3 311 313 A L - 0 0 26 -10,-1.8 2,-0.1 -13,-0.2 -1,-0.1 -0.398 38.5-126.8 -55.8 140.2 -2.8 -43.3 9.7 312 314 A T > - 0 0 22 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.421 27.5-104.2 -79.0 168.4 0.4 -44.8 8.2 313 315 A A H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -170,-0.2 0.913 123.1 48.6 -61.7 -42.3 2.9 -42.5 6.6 314 316 A R H > S+ 0 0 143 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.945 112.9 46.6 -66.0 -46.5 1.8 -43.5 3.1 315 317 A E H >4 S+ 0 0 89 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.872 108.6 57.0 -59.0 -40.1 -1.9 -43.1 3.9 316 318 A A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.910 100.9 56.8 -59.1 -39.5 -1.1 -39.7 5.5 317 319 A M H 3< S+ 0 0 28 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.724 102.5 56.6 -67.7 -17.9 0.4 -38.6 2.2 318 320 A E T << S+ 0 0 131 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.509 83.2 120.5 -84.2 -7.1 -2.9 -39.4 0.5 319 321 A H S X S- 0 0 13 -3,-1.9 3,-2.4 -4,-0.3 4,-0.2 -0.308 73.4-123.4 -70.0 141.2 -4.9 -37.0 2.9 320 322 A P G > S+ 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.739 104.8 77.7 -49.6 -26.7 -6.9 -34.1 1.5 321 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 4,-0.1 0.834 96.0 47.7 -51.3 -32.1 -4.8 -31.8 3.8 322 324 A F G X S+ 0 0 2 -3,-2.4 3,-0.9 -6,-0.2 -1,-0.3 0.444 81.0 95.7 -96.1 2.5 -2.0 -32.1 1.2 323 325 A Y T < S+ 0 0 170 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.854 84.9 52.5 -59.3 -32.5 -4.0 -31.4 -1.9 324 326 A T T 3 S+ 0 0 75 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.2 0.705 87.8 99.3 -80.3 -17.0 -3.0 -27.8 -1.8 325 327 A V S < S- 0 0 5 -3,-0.9 2,-0.3 -4,-0.1 -195,-0.0 -0.521 81.2-117.6 -72.5 127.2 0.7 -28.6 -1.7 326 328 A V 0 0 113 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.487 360.0 360.0 -67.9 128.2 2.5 -28.4 -5.0 327 329 A K 0 0 155 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.859 360.0 360.0 -93.6 360.0 3.9 -31.7 -6.2